SCHEMBL3777526

SCHEMBL3777526

Clc1cccc(C2=CCNCC2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.55
SIGMAR1 Q99720 2/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 1/20 0.45
QDPR P09417 1/20 0.43
KHK P50053 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14704893 0.90 HTR2C (0.45) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4790197 0.86 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL30952463 0.86 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL21359253 0.86 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL15804320 0.85 ADRB1 (0.40) HTR2CSIGMAR1MAPTDRD2HTR2A
SCHEMBL17234795 0.83 HTR2C (0.53) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4699610 0.82 CYP1A2 (0.50) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL5323553 0.80 HTR2C (0.57) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4699360 0.76 HTR2C (0.50) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL14704897 0.76 HTR2C (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 HTR2C 11/4885SIGMAR1 89/4885KDM4E 2231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.